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Compound Detail

CHEMBL3960005

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COc1ccc(C2C3C=CC=CC3C(=O)N2c2ccc3[nH]cnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3960005
Phase Preclinical
Structure Type MOL
InChI Key LZSCUGXGMFTCOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.02
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2
MW 357.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine